Information card for entry 7039924

Structure parameters

• Formula: C28 H22 Br2 F17 N3 O2 S Zn
• Calculated formula: C28 H22 Br2 F17 N3 O2 S Zn
• SMILES: Br[Zn]12(Br)[n]3ccccc3c3[n]1c(cc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3)c1[n]2cccc1.S(=O)(C)C
• Title of publication: Metallogel formation in aqueous DMSO by perfluoroalkyl decorated terpyridine ligands.
• Authors of publication: Tatikonda, Rajendhraprasad; Bhowmik, Sandip; Rissanen, Kari; Haukka, Matti; Cametti, Massimo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12756 - 12762
• a: 7.66921 ± 0.00015 Å
• b: 10.9302 ± 0.0002 Å
• c: 20.8875 ± 0.0005 Å
• α: 97.0241 ± 0.0017°
• β: 91.409 ± 0.0017°
• γ: 94.9834 ± 0.0016°
• Cell volume: 1730.11 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No